Abstract: A microscopic theory for the coupling of molecular orientations with acoustic lattice displacements is proposed. The relevant interaction is quadratic in the orientational-order-parameter variables and linear in longitudinal strains. The coupling is evaluated for a complex molecular structure. The intermolecular potential is obtained from interaction centers placed at nuclei and at the centers of interatomic bonds. The free energy is derived and the experimental consequences of the theory are studied. The Clausius-Clapeyron equation for orientational melting is obtained. The theory explains the decrease of the lattice constant at the first-order phase transition and the increase of the transition temperature with applied pressure.

Abstract: The deviation effect of spinor mode from the single-mode for a spin-1 Bose gas of trapped atoms is studied beyond the mean field theory. Based on the effective Hamiltonian with nondegenerated level of the collective spin states, the splitting level of the system energy due to the deviation effect has been calculated. For the large condensates of (87)Rb and (23)Na with atom number N > 10(5), the splitting fraction of the energy, arising from the magnetization exhibited by the trapped Bose gas, is found to have a typical order of (10(-4) similar to 10(-8)), decreasing as N(-2) for (87)Rb and increasing as -N(-2) for 23 Na, respectively.

Abstract: The electronic tunneling properties of the two stable forms of trilayer graphene (TLG), rhombohedral ABC and Bernal ABA, are examined for p-n and p-n-p junctions as realized by using a single gate (SG) or a double gate (DG). For the rhombohedral form, due to the chirality of the electrons, the Klein paradox is found at normal incidence for SG devices, while at high-energy interband scattering between additional propagation modes can occur. The electrons in Bernal ABA TLG can have a monolayer- or bilayer-like character when incident on a SG device. Using a DG, however, both propagation modes will couple by breaking the mirror symmetry of the system, which induces intermode scattering and resonances that depend on the width of the DG p-n-p junction. For ABC TLG the DG opens up a band gap which suppresses Klein tunneling. The DG induces also an unexpected asymmetry in the tunneling angle for single-valley electrons.

Abstract: An experimental and theoretical investigation was made of flux jumps and irreversible magnetization curves of mesoscopic Al superconducting rings. In the small magnetic-field region the change of vorticity with magnetic field can be larger than unity. This behavior is connected with the existence of several metastable states of different vorticities. The intentional introduction of a defect in the ring has a large effect on the size of the flux jumps. Calculations based on the time-dependent Ginzburg-Landau model allows us to explain the experimental results semiquantitatively.

Abstract: The electron transport properties in delta-doped semiconductor systems-are studied. The subband electronic structure of the delta-doped system is obtained by solving the coupled Schrodinger and Poisson equations. The screening of the quasi-two-dimensional electron gas is taken into account for the ionized impurity scattering through the matrix dielectric function within the random-phase approximation. The quantum and transport mobilities are calculated numerically as a function of the total electron density and the width of the doped layer at zero temperature. The intersubband scattering and the effect of empty subbands above the Fermi level on the electron mobilities are investigated. The calculated mobilities are in reasonable agreement with the available experimental results.

Abstract: Recent experiments showed that nonuniform strain can be produced by depositing graphene over pillars. We employed atomistic calculations to study the nonuniform strain and the induced pseudomagnetic field in graphene on top of nanopillars. By decreasing the distance between the nanopillars a complex distribution for the pseudomagnetic field can be generated. Furthermore, we performed tight-binding calculations of the local density of states (LDOS) by using the relaxed graphene configuration obtained from atomistic calculations. We find that the quasiparticle LDOS are strongly modified near the pillars, both at low energies showing sublattice polarization and at high energies showing shifts of the van Hove singularity. Our study shows that changing the specific pattern of the nanopillars allows us to create a desired shape of the pseudomagnetic field profile while the LDOS maps provide an input for experimental verification by scanning tunneling microscopy.

Abstract: Nanoindentation of bilayer graphene is studied using molecular-dynamics simulations. We compared our simulation results with those from elasticity theory as based on the nonlinear Föppl-Hencky equations with rigid boundary condition. The force-deflection values of bilayer graphene are compared to those of monolayer graphene. Youngs modulus of bilayer graphene is estimated to be 0.8 TPa which is close to the value for graphite. Moreover, an almost flat bilayer membrane at low temperature under central load has a 14% smaller Youngs modulus as compared to the one at room temperature.

Abstract: The orientation of a C(70) fullerene molecule encapsulated in a single-walled carbon nanotube (SWCNT) depends on the tube radius. First we confirm that chirality effects do not affect the orientation as well by comparing discrete atomistic calculations with the results of a continuous tube approximation for a variety of SWCNTs. The molecular and the tube symmetry are exploited by using symmetry-adapted rotator functions. We accurately determine the optimal molecular orientation as a function of the tube radius; for low (less than or similar to 7 A) and high (greater than or similar to 7.2 A) tube radii, lying and standing molecular orientations are recovered, respectively. In between, we observe a transition regime. In addition, we consider off-axis positions. We perform a one-dimensional liquid description of a chain of on-axis C(70) molecules inside a SWCNT. All results agree well with recent x-ray diffraction experiments.

Abstract: 'Natural' platelets are planar defects in {001} planes found in natural type-IaA/B diamonds. 'Man-made' platelets are platelets formed in the laboratory by annealing type-IaA diamonds at temperatures over 2500 degrees C. Careful study shows that the infrared (IR) spectra of the 'man-made' platelets are different from the IR spectra of 'natural' platelets. High-temperature (T greater than or equal to 2000 degrees C) annealing of platelets containing type-IaA/B diamonds modifies the IR absorption spectrum owing to the 'natural' platelets and makes it similar to the IR spectrum of the 'man-made' platelets. It is suggested that such high-temperature annealing changes the structure of the 'natural' platelets. The changes are too subtle to be detected by electron microscopy techniques. Topographic electron-energy-loss spectroscopy shows that platelets contain nitrogen at an average density of 0.7 atoms per a(0)(2); however, high-temperature annealing does not seem to affect the concentration of the nitrogen in the platelets.